5-羟基戊酸 | 13392-69-3

• 分子结构分类: 有机化合物 - 脂质和类脂质分子 - 脂肪酰基
• 中文名称: 5-羟基戊酸
• 英文名称: valeric acid
• 英文别名: 5-hydroxypentanoic acid；hydroxypentanoic acid；hydroxyvaleric acid
• CAS: 13392-69-3
• 化学式: C₅H₁₀O₃
• mdl: MFCD06203224
• 分子量: 118.133
• InChiKey: PHOJOSOUIAQEDH-UHFFFAOYSA-N

物化性质

• 沸点：
  120-122 °C(Press: 20 Torr)
• 密度：
  1.144±0.06 g/cm3(Predicted)
• LogP：
  -0.390 (est)

计算性质

• 辛醇/水分配系数(LogP)：
  -0.1
• 重原子数：
  8
• 可旋转键数：
  4
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  57.5
• 氢给体数：
  2
• 氢受体数：
  3

安全信息

• 海关编码：
  2918199090

反应信息

• 作为反应物：
  描述：

  5-羟基戊酸 在 硫酸 、 氢溴酸 作用下， 生成 5-溴戊酸
  参考文献：
  名称：

  Gaudry; Berlinguet, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 287

  摘要：

  DOI：
• 作为产物：
  描述：

  5-氯戊腈 在 氢氧化钾 作用下， 生成 5-羟基戊酸
  参考文献：
  名称：

  Gaudry; Berlinguet, Canadian Journal of Research, Section B: Chemical Sciences, 1949, vol. 27, p. 287

  摘要：

  DOI：

文献信息

• Production of Hydroxy Acids: Selective Double Oxidation of Diols by Flavoprotein Alcohol Oxidase
  作者：Caterina Martin、Milos Trajkovic、Marco W. Fraaije

  DOI：10.1002/anie.201914877

  日期：2020.3.16

  oxidases can catalyze oxidations of alcohols and amines by merely using molecular oxygen as the oxidant, making this class of enzymes appealing for biocatalysis. The FAD-containing (FAD=flavin adenine dinucleotide) alcohol oxidase from P. chrysosporium facilitated double and triple oxidations for a range of aliphatic diols. Interestingly, depending on the diol substrate, these reactions result in formation

  黄素蛋白氧化酶仅使用分子氧作为氧化剂即可催化醇和胺的氧化，使得此类酶在生物催化方面具有吸引力。来自 P. chrysosporium 的含有 FAD（FAD=黄素腺嘌呤二核苷酸）的醇氧化酶促进了一系列脂肪族二醇的双重和三重氧化。有趣的是，根据二醇底物，这些反应会导致内酯或羟基酸的形成。例如，二甘醇可以选择性地完全转化为2-(2-羟基乙氧基)乙酸。这种简单的、不依赖辅因子的羟基酸生物催化途径为聚酯结构单元的制备开辟了新途径。
• Direct ester condensation from a 1:1 mixture of carboxylic acids and alcohols catalyzed by hafnium(IV) or zirconium(IV) salts
  作者：Kazuaki Ishihara、Masaya Nakayama、Suguru Ohara、Hisashi Yamamoto

  DOI：10.1016/s0040-4020(02)00966-3

  日期：2002.10

  either carboxylic acids or alcohols are normally needed. We found that the direct condensation of equimolar amounts of carboxylic acids and alcohols could be achieved using hafnium(IV) or zirconium(IV) salts. These metal salts are highly effective as catalysts for the selective esterification of primary alcohols with carboxylic acids in the presence of secondary alcohols or aromatic alcohols. The present

  为了提高合成中的原子效率并避免产生环境废物，应避免使用化学计量的缩合试剂或过量的底物。在酯化中，通常需要过量的羧酸或醇。我们发现，使用ha（IV）或锆（IV）盐可以实现等摩尔量的羧酸和醇类的直接缩合。这些金属盐在仲醇或芳族醇的存在下作为伯醇与羧酸选择性酯化的催化剂非常有效。本发明的方法可以用于直接聚酯化并且可以适用于大规模操作。
• What is the Optimal Evaluation Time of the QT Dispersion After Acute Myocardial Infarction for the Risk Stratification?
  作者：G. Kabakci、O. Önalan、M. Kemal Batur、A. Yildirir、R. Çağrikul、T. Açil、L. Tokgözoğlu、A. Oto、F. Özmen、S. Kes

  DOI：10.1177/000331970105200704

  日期：2001.7

  The sequential changes of the corrected QT dispersion (QTcD) were studied in 136 patients 1 day to 30 days after a transmural acute myocardial infarction (AMI) to investigate the optimal measurement time of QT dispersion for risk stratification. The study group included 136 patients (89 men; mean age, 57 ±10 years) with transmural AMI who were treated with throm bolytics (Tr+ group, n = 73) or not (Tr- group, n = 63) and 65 healthy controls (43 men; mean age, 56 ±7 years). Fourteen patients in whom ventricular tachycardia (VT), ventricular fibrilla tion (VF), or sudden cardiac death developed during the 30-day period were also evaluated as major cardiac arrhythmia (MCA) group. ECGs were obtained for each patient on days 1, 3, 5, 10, 15, and 30 after AMI. QTc dispersion in patients with AMI (for every period of QTcD after MI) was significantly more prolonged than in normal controls (49.3 ± 16.3 ms) (p < 0.001). QTcD was significantly greater in patients without thrombolytics than in patients with thrombolytics for every period (days 1, 3, 5, 10, 15, and 30) of QTcD after MI (p < 0.001). The mean of QTcD was significantly greater in patients with MCA than in patients without MCA group for every period (days 1, 3, 5, 10, 15, and 30) of QTcD after MI (p < 0.05). Maximal QTcD was seen on day 10 (p < 0.05 1st vs day 10 for each group) after myocardial infarction, and then reached a plateau for an each group. The ideal time to measure the QTD for risk stratification is at least 10 days after AMI.

  研究了136例透壁性急性心肌梗死（AMI）患者在接受溶栓治疗（Tr+组，n = 73）或不接受溶栓治疗（Tr-组，n = 63）后1天至30天内校正QT离散度（QTcD）的序贯变化，以探讨QT离散度测量时间对风险分层的最佳时间。研究组包括136例透壁性AMI患者（89名男性；平均年龄，57 ±10岁）和65名健康对照者（43名男性；平均年龄，56 ±7岁）。在30天内发生室性心动过速（VT）、心室颤动（VF）或心脏猝死的14例患者也被评估为重大心律失常（MCA）组。AMI后1、3、5、10、15和30天分别获得每位患者的ECG。AMI患者QTcD（MI后每个QTcD期间）较正常对照组明显延长（49.3 ± 16.3 ms）（p < 0.001）。MI后每个时期（1、3、5、10、15和30天）未接受溶栓治疗的患者QTcD显著高于接受溶栓治疗的患者（p < 0.001）。QTcD平均值在MCA组患者中较非MCA组患者每个时期（1、3、5、10、15和30天）显著升高（p < 0.05）。心肌梗死后第10天QTcD最大（p < 0.05，第1天与第10天各组比较），之后达到平台期。AMI后至少10天是测量QTD进行风险分层的理想时间。
• Syntheses and biological evaluation of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib
  作者：Yong-Tao Li、Jing-Han Wang、Cheng-Wen Pan、Fan-Fei Meng、Xiao-Qian Chu、Ya-hui Ding、Wen-Zheng Qu、Hui-ying Li、Cheng Yang、Quan Zhang、Cui-Gai Bai、Yue Chen

  DOI：10.1016/j.bmcl.2016.01.068

  日期：2016.3

  Three novel series of 1,2,3-triazole and 1,3,4-oxadiazole derivatives of imatinib were prepared and evaluated in vitro for their cytostatic effects against a human chronic myeloid leukemia (K562), acute myeloid leukemia (HL60), and human leukemia stem-like cell line (KG1a). The structure–activity relationship was analyzed by determining the inhibitory rate of each imatinib analog. Benzene and piperazine

  制备了伊马替尼的三个新系列的1,2,3-三唑和1,3,4-恶二唑衍生物，并在体外评估了它们对人慢性髓性白血病（K562），急性髓性白血病（HL60）和人白血病干样细胞系（KG1a）。通过确定每种伊马替尼类似物的抑制率来分析结构与活性之间的关系。苯和哌嗪环是这些化合物中维持对K562和HL60细胞系抑制活性所必需的基团。引入三氟甲基基团显着增强了化合物对这两种细胞系的效力。出人意料的是，某些化合物对KG1a细胞显示出显着的抑制活性，而没有抑制常见的白血病细胞系（K562和HL60）。
• Selenium-Catalyzed Oxidations with Aqueous Hydrogen Peroxide. 2. Baeyer−Villiger Reactions in Homogeneous Solution¹
  作者：Gerd-Jan ten Brink、Jan-Martijn Vis、Isabel W. C. E. Arends、Roger A. Sheldon

  DOI：10.1021/jo0057710

  日期：2001.4.1

  Several diselenides were tested for catalytic activity in Baeyer-Villiger reactions with 60% aqueous hydrogen peroxide. Bis[3,5-bis(trifluoromethyl)phenyl] diselenide forms the corresponding 3,5-bis(trifluoromethyl)benzene seleninic acid in situ, which is a highly reactive and selective catalyst for the oxidation of carbonyl compounds in 1,1,1,3,3,3-hexafluoro-2-propanol, 2,2,2-trifluoroethanol, or

  测试了几种二硒化物在60％过氧化氢水溶液的Baeyer-Villiger反应中的催化活性。双[3,5-双（三氟甲基）苯基]二硒化物原位形成相应的3,5-双（三氟甲基）苯硒酸，这是一种高反应性和选择性的催化剂，用于氧化1,1,1中的羰基化合物，3,3,3-六氟-2-丙醇，2,2,2-三氟乙醇或二氯甲烷。